SCHEMBL306579

SCHEMBL306579

N#Cc1ccc(NC(=O)NCc2cccc(C(=O)Nc3cccc(CN)c3)c2)cc1

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.90
PKN2 Q16513 3/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
NAMPT P43490 2/20 0.56
PRKCE Q02156 1/20 0.52
PRKG1 Q13976 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL307067 0.95 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL10198534 0.87 ROCK2 (0.68) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL307927 0.87 ROCK2 (0.89) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL3616532 0.83 ROCK2 (0.76) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL307274 0.82 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL308998 0.82 ROCK2 (0.73) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL10195845 0.81 ROCK2 (0.76) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL307348 0.81 ROCK2 (0.82) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL15876281 0.81 ROCK2 (0.71) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL307925 0.80 ROCK2 (0.87) ROCK2PKN2CYP3A4CYP2C19MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP claimed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885PKN2 332/4885CYP3A4 2048/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.